Hi OK! I made https://redmine.gromacs.org/issues/2873
Mark On Wed, 27 Feb 2019 at 00:36 Sergio Perez <sperezcon...@gmail.com> wrote: > Hi, > Thank you very much for the response. I would like to suggest this > posibility as a feature for future editions :) > Sergio > > On Tue, Feb 26, 2019 at 11:36 PM Mark Abraham <mark.j.abra...@gmail.com> > wrote: > > > Hi, > > > > Unfortunately there is no simple way to get the last frame. Even gmx > > trjconv -dump doesn't help unless you know quite well what time you seek. > > So gmx check is your friend. > > > > Mark > > > > On Tue, 26 Feb 2019 at 08:08 Sergio Perez <sperezcon...@gmail.com> > wrote: > > > > > Yes, I understand that, in that case you know how long the simulation > is. > > > But what if I don't know how many frames the simulation has can I > access > > > it directly? Or do I need to do a gmx check to see how long the > > trajectory > > > is? > > > > > > On Tue, Feb 26, 2019 at 12:11 PM aditi singh <aditi...@gmail.com> > wrote: > > > > > > > You have to dump the last frame: for example* -10000 *for a > > 10000ps/10ns > > > > trajectory > > > > > > > > On Tue, Feb 26, 2019 at 4:31 PM Sergio Perez <sperezcon...@gmail.com > > > > > > wrote: > > > > > > > > > Dear gmx comunity, > > > > > > > > > > I have tried to get the last structure from a trajectory using: > > > > > > > > > > gmx_d trjconv -pbc mol -ur compact -s topol.tpr -f > > > > traj_comp.part0001.xtc > > > > > -o out.gro -n index.ndx -dump -1 > > > > > > > > > > But I get the first structure. Maybe the -1 syntax that is used in > > > python > > > > > for example does not work here, althought the default value being > -1 > > > > makes > > > > > it a little confusing. > > > > > > > > > > I am using gmx 2018.1. > > > > > > > > > > In addition is there a way to get the last structure without > knowing > > > its > > > > > frame number (like I intended to do). Just to make easier > > > automatization. > > > > > > > > > > Thank you all very much and keep up the good work! > > > > > > > > > > Sergio PĂ©rez-Conesa > > > > > -- > > > > > Gromacs Users mailing list > > > > > > > > > > * Please search the archive at > > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > > > > posting! > > > > > > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > > > > > * For (un)subscribe requests visit > > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > > or > > > > > send a mail to gmx-users-requ...@gromacs.org. > > > > > > > > > > > > > > > > -- > > > > Aditi > > > > -- > > > > Gromacs Users mailing list > > > > > > > > * Please search the archive at > > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > > > posting! > > > > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > > > * For (un)subscribe requests visit > > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > or > > > > send a mail to gmx-users-requ...@gromacs.org. > > > -- > > > Gromacs Users mailing list > > > > > > * Please search the archive at > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > > posting! > > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > * For (un)subscribe requests visit > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > > send a mail to gmx-users-requ...@gromacs.org. > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.